(6-cyclohexylpyridin-2-yl)boronic acid

• ChemBase ID: 804870
• Molecular Formular: C11H16BNO2
• Molecular Mass: 205.06124
• Monoisotopic Mass: 205.12740916
• SMILES: B(O)(O)c1nc(ccc1)C1CCCCC1
• Canonical SMILES: OB(c1cccc(n1)C1CCCCC1)O
• InChI: InChI=1S/C11H16BNO2/c14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9/h4,7-9,14-15H,1-3,5-6H2
• InChIKey: MUZDDRAIUDBFOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-cyclohexylpyridin-2-yl)boronic acid
• IUPAC Traditional name: 6-cyclohexylpyridin-2-ylboronic acid
• Synonyms: 6-(CYCLOHEXYL)PYRIDINE-2-BORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.031961
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0709932
• LogD (pH = 7.4): 2.9818954
• Log P: 3.0726
• Molar Refractivity: 54.5538 cm^3
• Polarizability: 22.881893 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%